3-sulfinopropanoyl-CoA

Chemical Formula:

C₂₄H₃₅N₇O₁₉P₃S₂

Molecular Weight:

882.617 Daltons

Monoisotopic Mass:

887.1033230503 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCS(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

InChI:

1S/C24H40N7O19P3S2/c1-24(2,19(35)22(36)27-5-3-14(32)26-6-7-54-15(33)4-8-55(44)45)10-47-53(42,43)50-52(40,41)46-9-13-18(49-51(37,38)39)17(34)23(48-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,3-10H2,1-2H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H,44,45)(H2,25,28,29)(H2,37,38,39)/p-5/t13-,17-,18-,19+,23-/m1/s1

InChIKey:

NQBUSKKVOLGOGY-IEXPHMLFSA-I

Synonyms

3-sulfinopropionyl coenzyme A
3-sulfinopropionyl-CoA

Databases

MetaCyc: CPD-16582

ChEBI: 78349

PubChem (CID): 86289536

MetaNetX: MNXM146109

KEGG: C20987